Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCCCCN1CCC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C34H40N2O3/c1-2-3-7-19-35-20-16-25(23-35)24-39-30-13-10-26(11-14-30)32-31-15-12-29(37)21-28(31)22-34(17-18-34)36(32)33(38)27-8-5-4-6-9-27/h4-6,8-15,21,25,32,37H,2-3,7,16-20,22-24H2,1H3/t25-,32+/m0/s1 |
InChIKey | InChI | 1.06 | IJSGCDMEERVARD-ZOYWYXQUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCN1CC[C@H](COc2ccc(cc2)[C@H]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1 |
SMILES | CACTVS | 3.385 | CCCCCN1CC[CH](COc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCN1CC[C@@H](C1)COc2ccc(cc2)[C@@H]3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCN1CCC(C1)COc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O |